1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol

C33H37Cl2N3O4 — CID 88514711

IUPAC1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol
SMILESC[C@H](Cc1ccc(OCCOCCc2ccccc2)cc1)N(CC(O)c1cccc(Cl)n1)CC(O)c1cccc(Cl)n1
InChIInChI=1S/C33H37Cl2N3O4/c1-24(21-26-13-15-27(16-14-26)42-20-19-41-18-17-25-7-3-2-4-8-25)38(22-30(39)28-9-5-11-32(34)36-28)23-31(40)29-10-6-12-33(35)37-29/h2-16,24,30-31,39-40H,17-23H2,1H3/t24-,30?,31?/m1/s1
InChIKeyZLMZRGRZNKFGDM-XCZXHRDVSA-N
MW610.58 g/mol
LogP6.12
Rot. Bonds16

About 1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol

1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol (PubChem CID 88514711) has the molecular formula C33H37Cl2N3O4 and a molecular weight of 610.58 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol.

Molecular Properties

Compound Name1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol
PubChem CID88514711
Molecular FormulaC33H37Cl2N3O4
Molecular Weight610.58 g/mol
Exact Mass609.22
IUPAC Name1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol
SMILESC[C@H](Cc1ccc(OCCOCCc2ccccc2)cc1)N(CC(O)c1cccc(Cl)n1)CC(O)c1cccc(Cl)n1
InChIInChI=1S/C33H37Cl2N3O4/c1-24(21-26-13-15-27(16-14-26)42-20-19-41-18-17-25-7-3-2-4-8-25)38(22-30(39)28-9-5-11-32(34)36-28)23-31(40)29-10-6-12-33(35)37-29/h2-16,24,30-31,39-40H,17-23H2,1H3/t24-,30?,31?/m1/s1
InChIKeyZLMZRGRZNKFGDM-XCZXHRDVSA-N
XLogP6.12
TPSA87.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.58
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[(2R)-2-[bis[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid
CID 88514706
(1R)-1-(3-chlorophenyl)-2-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol
CID 54457072
1-(3-chlorophenyl)-2-[1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl-[2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]ethanol
CID 154369701
2-[4-[(2S)-3-[[(2S)-2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]amino]-2-hydroxypropoxy]phenyl]acetamide
CID 88514732
[4-[(2R)-2-[bis[2-acetyloxy-2-(6-chloro-2-pyridinyl)ethyl]amino]propyl]phenyl] acetate
CID 88630943
2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine
CID 43254415
(1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol
CID 122542919
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide
CID 70494983
ethyl 2-[4-[(2R)-2-[bis[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate;hydrochloride
CID 70387768
methyl 2-[4-[2-[benzyl-[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;hydrochloride
CID 21276521
2-chloro-6-(2-phenoxyethoxy)pyridine
CID 55212397

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol?
The IUPAC name of 1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol (CID 88514711) is 1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol.
What is the SMILES notation for 1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol?
The canonical SMILES for 1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol is C[C@H](Cc1ccc(OCCOCCc2ccccc2)cc1)N(CC(O)c1cccc(Cl)n1)CC(O)c1cccc(Cl)n1.
What is the InChIKey of 1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol?
The InChIKey is ZLMZRGRZNKFGDM-XCZXHRDVSA-N. The full InChI is InChI=1S/C33H37Cl2N3O4/c1-24(21-26-13-15-27(16-14-26)42-20-19-41-18-17-25-7-3-2-4-8-25)38(22-30(39)28-9-5-11-32(34)36-28)23-31(40)29-10-6-12-33(35)37-29/h2-16,24,30-31,39-40H,17-23H2,1H3/t24-,30?,31?/m1/s1.
What are the key properties of 1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol?
1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol has a molecular weight of 610.58 g/mol, XLogP of 6.12, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol is sourced from PubChem (CID 88514711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).